CID 117582

Brn 3496050

Structural Information

Molecular Formula
C25H34N2O6
SMILES
CCCC(C)(COC(=O)NC1=CC=C(C=C1)OCC)COC(=O)NC2=CC=C(C=C2)OCC
InChI
InChI=1S/C25H34N2O6/c1-5-16-25(4,17-32-23(28)26-19-8-12-21(13-9-19)30-6-2)18-33-24(29)27-20-10-14-22(15-11-20)31-7-3/h8-15H,5-7,16-18H2,1-4H3,(H,26,28)(H,27,29)
InChIKey
CCXTXXIACARUTI-UHFFFAOYSA-N
Compound name
[2-[(4-ethoxyphenyl)carbamoyloxymethyl]-2-methylpentyl] N-(4-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.2417 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.24898 213.2
[M+Na]+ 481.23092 214.6
[M-H]- 457.23442 218.4
[M+NH4]+ 476.27552 220.6
[M+K]+ 497.20486 213.0
[M+H-H2O]+ 441.23896 202.9
[M+HCOO]- 503.23990 233.7
[M+CH3COO]- 517.25555 237.6
[M+Na-2H]- 479.21637 214.0
[M]+ 458.24115 220.3
[M]- 458.24225 220.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.